Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50187786'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Interstitial collagenase (Homo sapiens (Human))	BDBM50187786 (4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1cccs1)C(=O)NO Show InChI InChI=1S/C22H24N2O6S2/c1-2-3-14-30-17-6-8-18(9-7-17)32(28,29)16-22(21(26)23-27)10-12-24(13-11-22)20(25)19-5-4-15-31-19/h4-9,15,27H,10-14,16H2,1H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP1				Bioorg Med Chem Lett 16: 3927-31 (2006) Article DOI: 10.1016/j.bmcl.2006.05.026 BindingDB Entry DOI: 10.7270/Q2222TCJ
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